5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine

C18H20ClN5 — CID 162674952

IUPAC5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCNC[C@@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H20ClN5/c1-11-6-7-20-10-16(11)23-18-22-9-14(19)17(24-18)13-8-21-15-5-3-2-4-12(13)15/h2-5,8-9,11,16,20-21H,6-7,10H2,1H3,(H,22,23,24)/t11-,16+/m1/s1
InChIKeyLTNGKOAIMLLMQU-BZNIZROVSA-N
MW341.85 g/mol
LogP3.69
Rot. Bonds3

About 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine

5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 162674952) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID162674952
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCNC[C@@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H20ClN5/c1-11-6-7-20-10-16(11)23-18-22-9-14(19)17(24-18)13-8-21-15-5-3-2-4-12(13)15/h2-5,8-9,11,16,20-21H,6-7,10H2,1H3,(H,22,23,24)/t11-,16+/m1/s1
InChIKeyLTNGKOAIMLLMQU-BZNIZROVSA-N
XLogP3.69
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

cis-(1S,3R)-1-N-chloro-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118426018
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride
CID 118418007
N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide
CID 140941069
(3R)-N-[(1S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide
CID 129306125
5-chloro-4-(1H-indol-3-yl)-N-[(3R)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 169103462
5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine
CID 162673234
[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 118417945
(3S)-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide
CID 118417809
N-[(3S,5S)-1-benzyl-5-methylpiperidin-3-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 175901767
1-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-(methylamino)ethanone;formic acid
CID 161183522
N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;hydrochloride
CID 118025385
N-[(3R)-1-(3-bromopropyl)pyrrolidin-3-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 169103488

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine (CID 162674952) is 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine is C[C@@H]1CCNC[C@@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is LTNGKOAIMLLMQU-BZNIZROVSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-11-6-7-20-10-16(11)23-18-22-9-14(19)17(24-18)13-8-21-15-5-3-2-4-12(13)15/h2-5,8-9,11,16,20-21H,6-7,10H2,1H3,(H,22,23,24)/t11-,16+/m1/s1.
What are the key properties of 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine?
5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 341.85 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 162674952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).